CID 76974179

27465-53-8

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1=CC=C(C=C1)C(C(C)NC)O

InChI

InChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,11-13H,1-3H3

InChIKey

DUESQFQLBNOCIT-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-(4-methylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.138286	141.5
[M+Na]+	202.120228	147.2
[M-H]-	178.123734	143.8
[M+NH4]+	197.164833	160.8
[M+K]+	218.094168	145.4
[M+H-H2O]+	162.128270	135.8
[M+HCOO]-	224.129211	163.2
[M+CH3COO]-	238.144861	184.5
[M+Na-2H]-	200.105676	145.2
[M]+	179.13046142	140.1
[M]-	179.13155858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe